[4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

C13H20N4O — CID 130187607

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C13H20N4O/c1-11-8-14-17(9-11)13(18)16-6-4-15(5-7-16)10-12-2-3-12/h8-9,12H,2-7,10H2,1H3
InChIKeyADGINHBQXKLMSP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds2

About [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone (PubChem CID 130187607) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
PubChem CID130187607
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C13H20N4O/c1-11-8-14-17(9-11)13(18)16-6-4-15(5-7-16)10-12-2-3-12/h8-9,12H,2-7,10H2,1H3
InChIKeyADGINHBQXKLMSP-UHFFFAOYSA-N
XLogP1.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Shi-13
CID 118526888
Serine Hydrolase Inhibitor-10
CID 89785475
1-(Piperidine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526750
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
CID 118526761
2-(Cyclopropylmethyl)-7-[(1-ethylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922469
Piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526410
1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]piperazin-1-yl]ethanone
CID 118526571
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
(4-Methyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526639
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526683
Piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118531147
(4-Methylperoxysulfanylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 123187106

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone (CID 130187607) is [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
The InChIKey is ADGINHBQXKLMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11-8-14-17(9-11)13(18)16-6-4-15(5-7-16)10-12-2-3-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 130187607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).